1-(2-methylpropyl)-3-[3-(triazol-1-yl)phenoxy]pyrazin-2-one

C16H17N5O2 — CID 133459466

IUPAC1-(2-methylpropyl)-3-[3-(triazol-1-yl)phenoxy]pyrazin-2-one
SMILESCC(C)Cn1ccnc(Oc2cccc(-n3ccnn3)c2)c1=O
InChIInChI=1S/C16H17N5O2/c1-12(2)11-20-8-6-17-15(16(20)22)23-14-5-3-4-13(10-14)21-9-7-18-19-21/h3-10,12H,11H2,1-2H3
InChIKeyPQVZBOGRLVMUJN-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.27
Rot. Bonds5

About 1-(2-methylpropyl)-3-[3-(triazol-1-yl)phenoxy]pyrazin-2-one

1-(2-methylpropyl)-3-[3-(triazol-1-yl)phenoxy]pyrazin-2-one (PubChem CID 133459466) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[3-(triazol-1-yl)phenoxy]pyrazin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[3-(triazol-1-yl)phenoxy]pyrazin-2-one
PubChem CID133459466
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name1-(2-methylpropyl)-3-[3-(triazol-1-yl)phenoxy]pyrazin-2-one
SMILESCC(C)Cn1ccnc(Oc2cccc(-n3ccnn3)c2)c1=O
InChIInChI=1S/C16H17N5O2/c1-12(2)11-20-8-6-17-15(16(20)22)23-14-5-3-4-13(10-14)21-9-7-18-19-21/h3-10,12H,11H2,1-2H3
InChIKeyPQVZBOGRLVMUJN-UHFFFAOYSA-N
XLogP2.27
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(4-Butyltriazol-1-yl)propyl]-1,4-benzoxazin-3-one
CID 118724255
4-[3-(4-Propyltriazol-1-yl)propyl]-1,4-benzoxazin-3-one
CID 118724256
1-(3-Methoxyphenyl)triazole
CID 13626179
2-(diethylamino)-N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]acetamide
CID 51050636
1-(3-methoxyphenyl)-4-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]methyl]triazole
CID 53318797
4-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-1-(3-methoxyphenyl)triazole
CID 53319649
4-[(1-Hexyltriazol-4-yl)methyl]-1,4-benzoxazin-3-one
CID 137660209
N-methyl-N-(2-phenoxyphenyl)-2-(triazol-1-yl)acetamide
CID 71861875
N-cyclopropyl-2-[3-(triazol-1-yl)phenoxy]acetamide
CID 86791011
1-[4-(Triazol-1-yl)-3-(trifluoromethoxy)phenyl]pyridin-2-one
CID 151956628
1-Piperazin-1-yl-2-[4-(triazol-1-yl)phenoxy]ethanone;hydrochloride
CID 67980821
1-Piperazin-1-yl-2-[4-(triazol-1-yl)phenoxy]ethanone
CID 67980822

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-[3-(triazol-1-yl)phenoxy]pyrazin-2-one?
The IUPAC name of 1-(2-methylpropyl)-3-[3-(triazol-1-yl)phenoxy]pyrazin-2-one (CID 133459466) is 1-(2-methylpropyl)-3-[3-(triazol-1-yl)phenoxy]pyrazin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-3-[3-(triazol-1-yl)phenoxy]pyrazin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-3-[3-(triazol-1-yl)phenoxy]pyrazin-2-one is CC(C)Cn1ccnc(Oc2cccc(-n3ccnn3)c2)c1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-[3-(triazol-1-yl)phenoxy]pyrazin-2-one?
The InChIKey is PQVZBOGRLVMUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-12(2)11-20-8-6-17-15(16(20)22)23-14-5-3-4-13(10-14)21-9-7-18-19-21/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-3-[3-(triazol-1-yl)phenoxy]pyrazin-2-one?
1-(2-methylpropyl)-3-[3-(triazol-1-yl)phenoxy]pyrazin-2-one has a molecular weight of 311.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[3-(triazol-1-yl)phenoxy]pyrazin-2-one is sourced from PubChem (CID 133459466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).